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CHEBI:65035 - festuclavine

ChEBI IDCHEBI:65035
ChEBI Namefestuclavine
Stars
DefinitionAn alkaloid that is the 6,8β-dimethyl derivative of ergoline.
Last Modified25 June 2012
SubmitterKAX
DownloadsMolfile
FormulaC16H20N2
Net Charge0
Average Mass240.350
Monoisotopic Mass240.16265
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C)CN2C
InChIInChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1
InChIKeyVLMZMRDOMOGGFA-WDBKCZKBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
festuclavine (CHEBI:65035) has parent hydride ergoline (CHEBI:38484)
festuclavine (CHEBI:65035) is a ergot alkaloid (CHEBI:23943)
festuclavine (CHEBI:65035) is conjugate base of festuclavine(1+) (CHEBI:65045)
Incoming Relation(s)
festuclavine(1+) (CHEBI:65045) is conjugate acid of festuclavine (CHEBI:65035)
IUPAC Name 
(8β)-6,8-dimethylergoline
Synonyms  Source
6,8-beta-DimethylergolineChemIDplus
(8-beta)-6,8-DimethylergolineChemIDplus
FestuclavinChemIDplus
Manual XrefsDatabases
EP0189430Patent
WO8505634Patent
Registry NumbersSources
Reaxys:87764Reaxys
CAS:569-26-6ChemIDplus
Citations